Acetate → HCID 67407226, compound

HRID 198146Notes

Reaction equation

HRID 198146 reaction equation
[Br:19][c:20]1[c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24][cH:25]1.[C:82](=[O:83])([OH:84])[O-:85].[C:94]([O-:95])(=[O:96])[CH3:97].[C:99]([O-:100])(=[O:101])[CH3:102].[CH3:3][O:4][c:5]1[cH:6][c:7]([CH:11]([CH3:12])[NH:13][CH:14]2[CH2:15][NH:16][CH2:17][CH2:18]2)[cH:8][cH:9][cH:10]1.[CH3:76][C:77]([CH3:78])([O-:79])[CH3:80].[CH3:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[ClH:1].[ClH:2].[Na+:81].[Na+:86].[Pd+2:98].[cH:30]1[cH:31][cH:32][c:33]([P:34]([c:35]2[cH:36][cH:37][c:38]3[c:39]([cH:40][cH:41][cH:42][cH:43]3)[c:44]2-[c:45]2[c:46]3[c:47]([cH:48][cH:49][cH:50][cH:51]3)[cH:52][cH:53][c:54]2[P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75]1>>[CH3:3][O:4][c:5]1[cH:6][c:7]([CH:11]([CH3:12])[NH:13][CH:14]2[CH2:15][N:16]([c:20]3[c:21]([C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24][cH:25]3)[CH2:17][CH2:18]2)[cH:8][cH:9][cH:10]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 1140TolueneHCID 9806Benzene, 1-bromo-2-(trifluoromethyl)-HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 72478215HCID 72478215, compound

Product 1

HCID 67407226HCID 67407226, compound

Sources & evidence

ORD record
ord-cf93c3a11d09405b84cbf7307e3d1bea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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